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2-[Benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid, tms derivative
SpectraBase Compound ID 4CXEHrG9CGj
InChI InChI=1S/C21H27NO4Si/c1-22(20(23)16-11-7-6-8-12-16)18(21(24)26-27(3,4)5)15-17-13-9-10-14-19(17)25-2/h6-14,18H,15H2,1-5H3
InChIKey KVCICDRGLLSGKU-UHFFFAOYSA-N
Mol Weight 385.54 g/mol
Molecular Formula C21H27NO4Si
Exact Mass 385.170935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmyuKtDejJm
Name 2-[Benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 385.170934884 u
Formula C21H27NO4Si
InChI InChI=1S/C21H27NO4Si/c1-22(20(23)16-11-7-6-8-12-16)18(21(24)26-27(3,4)5)15-17-13-9-10-14-19(17)25-2/h6-14,18H,15H2,1-5H3
InChIKey KVCICDRGLLSGKU-UHFFFAOYSA-N
Molecular Weight 385.535 g/mol
SMILES C(C(CC1=C(C=CC=C1)OC)N(C)C(C1=CC=CC=C1)=O)(=O)O[Si](C)(C)C